SCHEMBL19365504

SCHEMBL19365504

COc1cncc(NC(=O)N2CCCN(C)c3ccc(-c4ccnc(C)c4)nc32)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ WNT3A P56704 5/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ GPR142 Q7Z601 1/20 0.34
▸ CSF1R P07333 4/20 0.33
▸ KIT P10721 4/20 0.33
▸ PDGFRB P09619 3/20 0.33
▸ PDGFRA P16234 2/20 0.33
▸ PORCN Q9H237 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19364831 0.91 CYP11B2 (0.41) CYP11B2FGFR4WNT3AABL1GRM5
SCHEMBL19670435 0.90 WNT3A (0.36) CYP11B2FGFR4WNT3ACYP3A4ROCK1
SCHEMBL19365738 0.89 FGFR4 (0.37) CYP11B2FGFR4WNT3ACYP3A4ROCK1
SCHEMBL19365531 0.88 FGFR4 (0.49) FGFR4WNT3ACYP3A4ROCK1ABL1
SCHEMBL16776229 0.85 CYP11B2 (0.37) CYP11B2FGFR4WNT3ACYP3A4ROCK1
SCHEMBL19670515 0.85 WNT3A (0.35) WNT3AABL1
SCHEMBL19365327 0.84 FAAH (0.36) CYP11B2FGFR4WNT3AABL1GRM5
SCHEMBL19365719 0.81 HTR2C (0.52) CYP3A4MAPT
SCHEMBL19365813 0.80 RPS6KA3 (0.36) CYP11B2WNT3AABL1CSF1RKIT
SCHEMBL19364889 0.79 FGFR4 (0.49) CYP11B2FGFR4ABL1PORCN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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